chempirical

Mitotane

C14H10Cl4CAS 53-19-0320.03 g/mol

Open in Covalent MOL file
ClClClCl
Alkyl halideAryl halide

Properties

Molecular formula
C14H10Cl4
Molar mass
320.03 g/mol
Exact mass
317.9537 Da
Melting point
76–78 °C
logP
5.93Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
53-19-0
SMILES
Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1
InChIKey
JWBOIMRXGHLCPP-UHFFFAOYSA-N
InChI
InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H

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Names and synonyms

21 names · show all
  • Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-
  • Ethane, 1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-
  • 1-Chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
  • 1-(2-Chlorophenyl)-1-(4-chlorophenyl)-2,2-dichloroethane
  • o,p′-DDD
  • o,p′-TDE
  • 1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane
  • Chlodithane
  • 1-(o-Chlorophenyl)-1-(p-chlorophenyl)-2,2-dichloroethane
  • 2-(p-Chlorophenyl)-2-(o-chlorophenyl)-1,1-dichloroethane
  • o,p′-Dichlorodiphenyldichloroethane
  • Chloditan
  • 2,4′-Dichlorodiphenyldichloroethane
  • Lysodren
  • Mitotan
  • CB 313
  • NSC 38721
  • 2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane
  • Opeprim
  • 1-(2′-Chlorophenyl)-1-(4′-chlorophenyl)-2,2-dichloroethane
  • 1-Chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene

Work with Mitotane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chlorobenzhydryl chloride134-83-844 % similar 4-Chlorobenzhydrol119-56-239 % similar (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-238 % similar (S)-1-(2-Chlorophenyl)ethanol131864-71-638 % similar 1-(2-Chlorophenyl)ethanol13524-04-438 % similar Ddt50-29-337 % similar (1S)-1-(2-Chlorophenyl)ethane-1,2-diol133082-13-036 % similar 4-Chlorobenzhydrylamine hydrochloride5267-39-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dichlorodiphenyldichloroethane72-54-8

Elsewhere

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